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Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires

[Image: see text] We present a comprehensive study of the exciton wave packet evolution in disordered lossless polaritonic wires. Our simulations reveal signatures of ballistic, diffusive, and subdiffusive exciton dynamics under strong light–matter coupling and identify the typical time scales assoc...

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Autores principales: Aroeira, Gustavo J. R., Kairys, Kyle T., Ribeiro, Raphael F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10291640/
https://www.ncbi.nlm.nih.gov/pubmed/37314883
http://dx.doi.org/10.1021/acs.jpclett.3c01082
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author Aroeira, Gustavo J. R.
Kairys, Kyle T.
Ribeiro, Raphael F.
author_facet Aroeira, Gustavo J. R.
Kairys, Kyle T.
Ribeiro, Raphael F.
author_sort Aroeira, Gustavo J. R.
collection PubMed
description [Image: see text] We present a comprehensive study of the exciton wave packet evolution in disordered lossless polaritonic wires. Our simulations reveal signatures of ballistic, diffusive, and subdiffusive exciton dynamics under strong light–matter coupling and identify the typical time scales associated with the transitions between these qualitatively distinct transport phenomena. We determine optimal truncations of the matter and radiation subsystems required for generating reliable time-dependent data from computational simulations at an affordable cost. The time evolution of the photonic part of the wave function reveals that many cavity modes contribute to the dynamics in a nontrivial fashion. Hence, a sizable number of photon modes is needed to describe exciton propagation with a reasonable accuracy. We find and discuss an intriguingly common lack of dominance of the photon mode on resonance with matter in both the presence and absence of disorder. We discuss the implications of our investigations for the development of theoretical models and analysis of experiments where coherent intermolecular energy transport and static disorder play an important role.
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spelling pubmed-102916402023-06-27 Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires Aroeira, Gustavo J. R. Kairys, Kyle T. Ribeiro, Raphael F. J Phys Chem Lett [Image: see text] We present a comprehensive study of the exciton wave packet evolution in disordered lossless polaritonic wires. Our simulations reveal signatures of ballistic, diffusive, and subdiffusive exciton dynamics under strong light–matter coupling and identify the typical time scales associated with the transitions between these qualitatively distinct transport phenomena. We determine optimal truncations of the matter and radiation subsystems required for generating reliable time-dependent data from computational simulations at an affordable cost. The time evolution of the photonic part of the wave function reveals that many cavity modes contribute to the dynamics in a nontrivial fashion. Hence, a sizable number of photon modes is needed to describe exciton propagation with a reasonable accuracy. We find and discuss an intriguingly common lack of dominance of the photon mode on resonance with matter in both the presence and absence of disorder. We discuss the implications of our investigations for the development of theoretical models and analysis of experiments where coherent intermolecular energy transport and static disorder play an important role. American Chemical Society 2023-06-14 /pmc/articles/PMC10291640/ /pubmed/37314883 http://dx.doi.org/10.1021/acs.jpclett.3c01082 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Aroeira, Gustavo J. R.
Kairys, Kyle T.
Ribeiro, Raphael F.
Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title_full Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title_fullStr Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title_full_unstemmed Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title_short Theoretical Analysis of Exciton Wave Packet Dynamics in Polaritonic Wires
title_sort theoretical analysis of exciton wave packet dynamics in polaritonic wires
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10291640/
https://www.ncbi.nlm.nih.gov/pubmed/37314883
http://dx.doi.org/10.1021/acs.jpclett.3c01082
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